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canSAR1591128
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NAMES
    SMILES
    COc1ccc2c(c1OC)C(=O)OC2C1c2cc3c(cc2CCN1C)OCO3.Cl
    InChI
    InChI=1S/C21H21NO6.ClH/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19;/h4-5,8-9,18-19H,6-7,10H2,1-3H3;1H
    MOLECULAR FORMULA
    C21H22ClNO6
    CROSS REFERENCES
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    canSAR1591128

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 419.11
    AlogP 3.29
    HBond donors 0
    HBond acceptors 7
    Atoms 51
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1591128.